Van der Waals Energies in Density Functional Theory.
Walter Kohn (Department of Physics, University of California, Santa Barbara)

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Séminaire exceptionnel

Mardi 14 octobre 1997

In principle, density functional theory yields the correct ground-state densities and energies of electronic systems under the action of a static external potential. However, traditional approximations fail to include Van der Waals energies between separated systems. A practical procedure for remedying this difficulty will be presented.

The method allows seamless calculations between small and large inter-system distances. The asymptotic H-He and He-He interactions are calculated as a first illustration.

Séminaire exceptionnel

Van der Waals Energies in Density Functional Theory. Walter Kohn (Department of Physics, University of California, Santa Barbara)

Van der Waals Energies in Density Functional Theory.
Walter Kohn (Department of Physics, University of California, Santa Barbara)